pyrimidine-2-sulfonamide

• ChemBase ID: 279292
• Molecular Formular: C4H5N3O2S
• Molecular Mass: 159.1664
• Monoisotopic Mass: 159.01024742
• SMILES: S(=O)(=O)(c1ncccn1)N
• Canonical SMILES: NS(=O)(=O)c1ncccn1
• InChI: InChI=1S/C4H5N3O2S/c5-10(8,9)4-6-2-1-3-7-4/h1-3H,(H2,5,8,9)
• InChIKey: WJJBIYLGJUVNJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrimidine-2-sulfonamide
• IUPAC Traditional name: pyrimidine-2-sulfonamide
• Synonyms: pyrimidine-2-sulfonamide

Database IDs

• MDL Number: MFCD11847597
• PubChem SID: 164335202
• PubChem CID: 18547005

CALCULATED PROPERTIES

• Acid pKa: 7.6147037
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.66838974
• LogD (pH = 7.4): -0.84305626
• Log P: -0.6654478
• Molar Refractivity: 34.8262 cm^3
• Polarizability: 13.971806 Å^3
• Polar Surface Area: 85.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173 - 175°C
• Hydrophobicity(logP): -0.932

Product Information

• Purity: 95%